smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(N[C@H]2Cc2ccc(O)c(O)c2)C(=O)Nc2ccccc21	ZINC000009058995	556243628	/nfs/dbraw/zinc/24/36/28/556243628.db2.gz	GMTLGGOKWONVCH-HTIQSUCMSA-N	0	1	437.452	0.707	40	10		ICCBMN
COCCN1C(=O)[C@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O	ZINC000009058997	556243650	/nfs/dbraw/zinc/24/36/50/556243650.db2.gz	GMTLGGOKWONVCH-LPSTTYAQSA-N	0	1	437.452	0.707	40	10		ICCBMN
O=C1NC(=O)C(=Cc2cc([N+](=O)[O-])c(N3CCOCC3)cc2N2CCOCC2)C(=O)N1	ZINC000059419056	557823455	/nfs/dbraw/zinc/82/34/55/557823455.db2.gz	VXBYCMCERIDHQV-UHFFFAOYSA-N	0	1	431.405	0.017	40	10		ICCBMN
Cc1ccc(-n2c(O)c(C=C3C(=O)N(C)C(=S)N(C)C3=O)c(=O)[nH]c2=S)cc1C	ZINC000103855852	557140316	/nfs/dbraw/zinc/14/03/16/557140316.db2.gz	QIXVJNQZODQJJQ-GFCCVEGCSA-N	0	1	430.511	0.809	40	10		ICCBMN
Cc1ccc(-n2c(O)c(C=C3C(=O)N(C)C(=S)N(C)C3=O)c(=O)[nH]c2=S)cc1C	ZINC000103855857	557140283	/nfs/dbraw/zinc/14/02/83/557140283.db2.gz	QIXVJNQZODQJJQ-LBPRGKRZSA-N	0	1	430.511	0.809	40	10		ICCBMN
Cc1ccnc(NS(=O)(=O)c2ccc(/N=N\c3c(N)n(C)c(=O)n(C)c3=O)cc2)n1	ZINC000104090754	557320050	/nfs/dbraw/zinc/32/00/50/557320050.db2.gz	CQSJACXSGYLKEX-DQRAZIAOSA-N	0	1	430.450	0.981	40	10		ICCBMN
Cc1ccnc(NS(=O)(=O)c2ccc(/N=N/c3c(N)n(C)c(=O)n(C)c3=O)cc2)n1	ZINC000104090756	557320073	/nfs/dbraw/zinc/32/00/73/557320073.db2.gz	CQSJACXSGYLKEX-QURGRASLSA-N	0	1	430.450	0.981	40	10		ICCBMN
CN1CCN(c2ccc(CNC(=O)CN3C(=O)c4ccccc4S3(=O)=O)cc2)CC1	ZINC000218331331	557193523	/nfs/dbraw/zinc/19/35/23/557193523.db2.gz	GAXQWDFGFTVVOA-UHFFFAOYSA-N	0	1	428.514	0.899	40	10		ICCBMN
CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H](NC(=O)c3cc(=O)n(-c4ccccc4)[n-]3)[C@H]2O)CC1	ZINC000257317656	568719129	/nfs/dbraw/zinc/71/91/29/568719129.db2.gz	VKQHBBYMQJKNMH-YFVAEKQCSA-N	0	1	427.505	0.342	40	10		ICCBMN
COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(I)c1OC(C)=O	ZINC000408759849	556686984	/nfs/dbraw/zinc/68/69/84/556686984.db2.gz	MVEVQHNLWIBLDR-UHFFFAOYSA-N	0	1	430.154	0.975	40	10		ICCBMN
NC(=O)COc1c(Br)cc(C=C2C(=O)NC(=O)NC2=O)cc1Br	ZINC000409219937	557013496	/nfs/dbraw/zinc/01/34/96/557013496.db2.gz	WSEYOTVPRXTLDO-UHFFFAOYSA-N	0	1	447.039	0.825	40	10		ICCBMN
NC(=O)COc1c(Br)cc(Br)cc1C=C1C(=O)NC(=O)NC1=O	ZINC000409261904	557040722	/nfs/dbraw/zinc/04/07/22/557040722.db2.gz	FGKJMMARMHWMRC-UHFFFAOYSA-N	0	1	447.039	0.825	40	10		ICCBMN